2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose - ≥99% , CAS No.20880-92-6

CAS: 20880-92-6 Cat. No.: I107770 Molecular Weight: 260.28 Beilstein Registry Number: 19(4)6124 EC Number: 606-663-8

GRADE & PURITY ≥99%

Synonyms

.beta.-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)- | AKOS015901555 | 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose | Q27289341 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol | 2,3:4,5-DI-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

.beta.-D-Fructopyranose, 2, 3:4, 5-bis-O-(1-methylethylidene)- | AKOS015901555 | 2, 3:4, 5-Di-O-isopropylidene-beta-D-fructopyranose | Q27289341 | [(1R, 2S, 6S, 9R)-4, 4, 11, 11-tetramethyl-3, 5, 7, 10, 12-pentaoxatricyclo[7.3.0.02, 6]dodecan-6-yl]methanol | 2, 3:4, 5-DI-

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504765352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765352
• Canonical Smiles: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
• IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
• InChIKey: PSSHGMIAIUYOJF-XBWDGYHZSA-N
• INCHI: 1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
• Isomeric SMILES: CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C
• WGK Germany: 3
• Molecular Weight: 260.28
• Beilstein: 19(4)6124
• Reaxy-Rn: 25979191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25979191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxolopyrans
• Alternative Parents: Ketals Oxanes Monosaccharides 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dioxolopyran - Ketal - Oxane - Monosaccharide - Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consists of a dioxole ring fused to a pyran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Specific Rotation[α]: -34 ° (C=1, H2O)
• Melt Point(°C): 96°C
• Molecular Weight: 260.279 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 260.126 Da
• Monoisotopic Mass: 260.126 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1